SCHEMBL28365752

SCHEMBL28365752

Cc1ccnc(-c2cccnc2-c2cc(CN)ccn2)c1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 8/20 0.48
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
LOX P28300 3/20 0.36
IRAK4 Q9NWZ3 1/20 0.35
AKT1 P31749 4/20 0.35
AKT2 P31751 2/20 0.35
AKT3 Q9Y243 2/20 0.35
DPP4 P27487 2/20 0.35
KARS1 Q15046 1/20 0.34
CSNK2A1 P68400 2/20 0.34
LOXL3 P58215 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28370110 0.86 LOXL2 (0.54) LOXL2PDCD1CD274LOXDPP4
SCHEMBL17783299 0.83 NPC1 (0.44)
SCHEMBL28016101 0.77 LOXL2 (0.49) LOXL2PDCD1CD274LOXIRAK4
SCHEMBL5991845 0.73 LOXL2 (0.70) LOXL2LOXIRAK4CSNK2A1LOXL3
SCHEMBL28365724 0.73 PDCD1 (0.41) LOXL2PDCD1CD274
SCHEMBL29177694 0.72 KDM4E (0.50)
SCHEMBL28370642 0.71 CYP2A6 (0.50) PDCD1CD274
SCHEMBL10205841 0.70 PTGS1 (0.46) AKT2
SCHEMBL29986498 0.70 MAPT (0.43) DPP4
SCHEMBL10871976 0.70 ADORA2A (0.41)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108165261-B Multicolor luminescent gel based on terpyridine ligand and preparation method and application thereof 南京邮电大学 2020-03-31 CN disclosed